[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone Formula: C20H21ClN3OS2+ MolecularWeight: 418.98324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-14-18(27-19(22-14)16-5-10-26-13-16)20(25)24-8-6-23(7-9-24)12-15-3-2-4-17(21)11-15/h2-5,10-11,13H,6-9,12H2,1H3/p+1